SCHEMBL11190617

SCHEMBL11190617

C[C@@H](CN1C(C(=O)O)CSC1c1ccco1)C(=O)SSC(=O)[C@@H](C)CN1C(C(=O)O)CSC1c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 5/20 0.41
▸ RECQL P46063 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ HPGD P15428 1/20 0.33
▸ ADORA2B P29275 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ACE P12821 2/20 0.32
▸ GAA P10253 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11194045 0.79 ACE (0.51) FFAR2ALDH1A1POLBKMT2AHPGD
SCHEMBL11263001 0.79 POLB (0.40) FFAR2HSD17B10ALDH1A1POLBKDM4E
SCHEMBL11189268 0.77 ALDH1A1 (0.44) ALDH1A1POLBKDM4EMAPTBLM
SCHEMBL11202283 0.76 POLB (0.38) FFAR2HSD17B10ALDH1A1POLBKDM4E
SCHEMBL11183987 0.76 GAA (0.57) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11190606 0.76 FFAR2 (0.51) FFAR2HSD17B10ALDH1A1POLBRECQL
SCHEMBL11180379 0.75 FFAR2 (0.52) FFAR2HSD17B10ALDH1A1POLBRECQL
SCHEMBL11192054 0.74 ACE (0.36) HSD17B10ALDH1A1KDM4EACE
SCHEMBL11219804 0.74 ACE (0.36) FFAR2ALDH1A1POLBMEN1KMT2A
SCHEMBL11199916 0.74 SMN1; SMN2 (0.44) ALDH1A1POLBKDM4EMAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4410542-A HYPOTENSIVE AGENTS, PYRROLINE-1,2-DICARBOXYLIC ACID DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1983-10-18 — — US disclosed
US-4347371-A HYPERTENSIVE AGENTS; ANTIDIABETIC AGENTS; VISION DEFECTS SANTEN PHARMACEUTICAL CO., LTD. (JP) 1982-08-31 — — US disclosed
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